Predicting Density Functional Theory Total Energies and Enthalpies of Formation of Metal-Nonmetal Compounds by Linear Regression: Article No. 085142

Vladan Stevanovic, Ann Deml, Ryan O'Hayre, Chris Wolverton

Research output: Contribution to journalArticlepeer-review

68 Scopus Citations
Original languageAmerican English
Number of pages9
JournalPhysical Review B
Volume93
Issue number8
DOIs
StatePublished - 2016

NREL Publication Number

  • NREL/JA-5K00-65927

Keywords

  • data mining
  • density functional theory (df)
  • enthalpy of formation

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